5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

C28H30FN5O2 — CID 164938184

About 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 164938184) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
• PubChem CID: 164938184
• Molecular Formula: C28H30FN5O2
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.24
• IUPAC Name: 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
• SMILES: CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)o1
• InChI: InChI=1S/C28H30FN5O2/c1-19(2)34-18-30-26(20-4-6-21(29)7-5-20)27(34)24-12-13-25(36-24)28(35)31-22-8-10-23(11-9-22)33-16-14-32(3)15-17-33/h4-13,18-19H,14-17H2,1-3H3,(H,31,35)
• InChIKey: HGKOOZDGNZNXNK-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 66.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 164938184) is 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)o1.

What is the InChIKey of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?

The InChIKey is HGKOOZDGNZNXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2/c1-19(2)34-18-30-26(20-4-6-21(29)7-5-20)27(34)24-12-13-25(36-24)28(35)31-22-8-10-23(11-9-22)33-16-14-32(3)15-17-33/h4-13,18-19H,14-17H2,1-3H3,(H,31,35).

What are the key properties of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?

5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 164938184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).